SCHEMBL7525500

SCHEMBL7525500

COC(=O)N(CC#N)Cc1ccc(Br)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.40
▸ ELANE P08246 1/20 0.40
▸ PYCR1 P32322 4/20 0.40
▸ MAOB P27338 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.38
▸ CTSK P43235 2/20 0.38
▸ CTSS P25774 3/20 0.38
▸ CTSL P07711 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7517117 0.85 CTSS (0.51) CTSKCTSSCTSLALDH1A1CYP1A2
SCHEMBL18068879 0.69 CETP (0.43) TDP1KDM4EHDAC1HDAC6ALDH1A1
SCHEMBL10458603 0.69 ALDH1A1 (0.55) TDP1L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL1996221 0.69 MEN1 (0.41) TDP1L3MBTL1KDM4EGLAMEN1
SCHEMBL4018145 0.69 LMNA (0.56) TDP1L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL17207012 0.69 DPP4 (0.40) ELANECYP1A2
SCHEMBL3574502 0.68 HDAC1 (0.52) TDP1L3MBTL1KDM4EGLAMEN1
SCHEMBL7522251 0.67 DPP4 (0.40) ELANECYP1A2
SCHEMBL16751795 0.67 POLB (0.53) TDP1KDM4EMEN1KMT2ACTSK
SCHEMBL4879779 0.67 PYCR1 (0.40) PYCR1MAOBL3MBTL1KDM4EMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0816342-B1 Process for producing 1-substituted-hydantoins SUMITOMO CHEMICAL CO (JP) 2002-02-27 — — EP disclosed
US-5883260-A Process for producing 1-substituted-hydantoins SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-03-16 — — US disclosed
EP-0816342-A2 Process for producing 1-substituted-hydantoins SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-01-07 — — EP disclosed
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